4-methyl-2-[3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]phenyl]pentanoic acid

Systemtic Name: 4-methyl-2-[3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-thienyl]phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-thiophenyl]phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-[5-(4-methylpiperazino)sulfonyl-2-thienyl]phenyl]valeric acid Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C)C(=O)O

InChI

InChI=1S/C21H28N2O4S2/c1-15(2)13-18(21(24)25)16-5-4-6-17(14-16)19-7-8-20(28-19)29(26,27)23-11-9-22(3)10-12-23/h4-8,14-15,18H,9-13H2,1-3H3,(H,24,25)